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Information card for entry 2227091
Preview
Coordinates | 2227091.cif |
---|---|
Structure factors | 2227091.hkl |
Original IUCr paper | HTML |
Chemical name | [μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2- bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate |
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Formula | C82 H80 Cu2 N2 O2 P6 |
Calculated formula | C82 H80 Cu2 N2 O2 P6 |
SMILES | C(#N)[Cu]1([P](CC[P](c2ccccc2)(c2ccccc2)[Cu]2(C#N)[P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC |
Title of publication | [μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>']bis{[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']cyanidocopper(I)} methanol disolvate |
Authors of publication | Wang, Rong; Xiao, Ye-Lan; Jin, Qiong-Hua; Zhang, Cun-Lin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 8 |
Pages of publication | m1032 |
a | 23.423 ± 0.002 Å |
b | 17.7912 ± 0.0016 Å |
c | 17.6614 ± 0.0018 Å |
α | 90° |
β | 92.194 ± 0.001° |
γ | 90° |
Cell volume | 7354.5 ± 1.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0959 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181191 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/70. |
2227091.cif 2227091.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227091.cif 2227091.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227091.cif 2227091.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227091.cif 2227091.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227091.cif 2227091.hkl |
1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227091.cif 2227091.hkl |
1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227091.cif |
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